3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole

C20H19FN2O2 — CID 56804167

IUPAC3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc(Cc4ccccc4)no3)CCOCC2)c1
InChIInChI=1S/C20H19FN2O2/c21-17-8-4-7-16(14-17)20(9-11-24-12-10-20)19-22-18(23-25-19)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyNYHUFEYFHODZKK-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.90
Rot. Bonds4

About 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole

3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole (PubChem CID 56804167) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
PubChem CID56804167
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc(Cc4ccccc4)no3)CCOCC2)c1
InChIInChI=1S/C20H19FN2O2/c21-17-8-4-7-16(14-17)20(9-11-24-12-10-20)19-22-18(23-25-19)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyNYHUFEYFHODZKK-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 56948657
3-(3,4-Difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 56948781
3-(2,4-Difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 56949137
2-(3-Fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91918936
3-Benzyl-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 145961274
3-[5-[2-[1-(3,5-difluorophenyl)cyclohexyl]ethyl]-1,2,4-oxadiazol-3-yl]-6-methyl-3H-pyridin-2-one
CID 121596250
5-[4-(4-Bromophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620763
5-[4-(4-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620776
1-(2-{3-[3-(4-Fluorophenyl)tetrahydrofuran-3-yl]-1,2,4-oxadiazol-5-yl}ethyl)piperidin-2-one
CID 56700790
2-(2-{3-[3-(4-Fluorophenyl)tetrahydrofuran-3-yl]-1,2,4-oxadiazol-5-yl}ethyl)-1,2-oxazinane
CID 56718612
5-[4-(3-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56785007
5-[1-(4-Fluorophenyl)cyclobutyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924872

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole (CID 56804167) is 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole is Fc1cccc(C2(c3nc(Cc4ccccc4)no3)CCOCC2)c1.
What is the InChIKey of 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The InChIKey is NYHUFEYFHODZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-8-4-7-16(14-17)20(9-11-24-12-10-20)19-22-18(23-25-19)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole has a molecular weight of 338.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 56804167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).